UCSF

ZINC34540642

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.31 12.44 -32.33 2 2 1 25 372.532 5
Mid Mid (pH 6-8) 5.31 11.94 -4.47 1 2 0 23 371.524 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )